butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate

C12H19N3O4 — CID 70611757

IUPACbutyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCCCOC(=O)c1c(C)noc1NC(=O)NCC
InChIInChI=1S/C12H19N3O4/c1-4-6-7-18-11(16)9-8(3)15-19-10(9)14-12(17)13-5-2/h4-7H2,1-3H3,(H2,13,14,17)
InChIKeyXIKNIAVAAWFLCG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.08
Rot. Bonds6

About butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate

butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 70611757) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namebutyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID70611757
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Namebutyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCCCOC(=O)c1c(C)noc1NC(=O)NCC
InChIInChI=1S/C12H19N3O4/c1-4-6-7-18-11(16)9-8(3)15-19-10(9)14-12(17)13-5-2/h4-7H2,1-3H3,(H2,13,14,17)
InChIKeyXIKNIAVAAWFLCG-UHFFFAOYSA-N
XLogP2.08
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate
CID 342009
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639801
Ethyl 3-methyl-5-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazole-4-carboxylate
CID 108450975
Ethyl 3-ethyl-5-(propan-2-ylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611384
Ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611576
Propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611608
Ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
Ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611695
Ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611716
Ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611819
Ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611944
Methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70612010

Frequently Asked Questions

What is the IUPAC name of butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate (CID 70611757) is butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate is CCCCOC(=O)c1c(C)noc1NC(=O)NCC.
What is the InChIKey of butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XIKNIAVAAWFLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-6-7-18-11(16)9-8(3)15-19-10(9)14-12(17)13-5-2/h4-7H2,1-3H3,(H2,13,14,17).
What are the key properties of butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).